Impurity-induced deep centers in Tl6SI4

Shi, Hongliang; Lin, Wenwen; Kanatzidis, Mercouri G.; Szeles, Csaba; Du, Mao -Hua

doi:10.1063/1.4980174

Title: Impurity-induced deep centers in Tl₆SI₄

Journal Article · Thu Apr 13 00:00:00 EDT 2017 · Journal of Applied Physics

DOI:https://doi.org/10.1063/1.4980174· OSTI ID:1351777

Shi, Hongliang ^[1]; Lin, Wenwen ^[2]; Kanatzidis, Mercouri G. ^[2]; Szeles, Csaba ^[3];

^[4]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Beihang Univ., Beijing (China)
Northwestern Univ., Evanston, IL (United States)
Nious Technologies, Wexford, PA (United States)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

Tl₆SI₄ is a promising material for room-temperature semiconductor radiation detection applications. The history of the development of semiconductor radiation detection materials has demonstrated that impurities strongly affect the carrier transport and that material purification is a critically important step in improving the carrier transport and thereby the detector performance. Here, we report combined experimental and theoretical studies of impurities in Tl₆SI₄. Impurity concentrations in Tl₆SI₄ were analyzed by glow discharge mass spectrometry. Purification of the raw material by multi-pass vertical narrow zone refining was found to be effective in reducing the concentrations of most impurities. Density functional theory calculations were also performed to study the trapping levels introduced by the main impurities detected in experiments. We show that, among dozens of detected impurities, most are either electrically inactive or shallow. In the purified Tl₆SI₄ sample, only Bi has a significant concentration (0.2 ppm wt) and introduces deep electron trapping levels in the band gap. Lastly, improvement of the purification processes is expected to further reduce the impurity concentrations and their impact on carrier transport in Tl₆SI₄, leading to improved detector performance.

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Research Organization:: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1351777

Journal Information:: Journal of Applied Physics, Vol. 121, Issue 14; ISSN 0021-8979

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 9 works

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Experimental study of phase equilibria and thermodynamic properties of the Tl–Se–I system Babanly, Dunya Mahammad; Aliev, Ziya Saxaveddin; Majidzade, Vusala Asim Journal of Thermal Analysis and Calorimetry, Vol. 134, Issue 3 https://doi.org/10.1007/s10973-018-7677-x	journal	September 2018
Physicochemical Aspects of Development of Multicomponent Chalcogenide Phases Having the Tl5Te3 Structure: A Review Imamaliyeva, S. Z.; Babanly, D. M.; Tagiev, D. B. Russian Journal of Inorganic Chemistry, Vol. 63, Issue 13 https://doi.org/10.1134/s0036023618130041	journal	December 2018

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